CID 119634

Einecs 248-839-3

Structural Information

Molecular Formula
C10H16O
SMILES
CC1=CCC(CC1)C2(CO2)C
InChI
InChI=1S/C10H16O/c1-8-3-5-9(6-4-8)10(2)7-11-10/h3,9H,4-7H2,1-2H3
InChIKey
PJGRMBOWSWHGDV-UHFFFAOYSA-N
Compound name
2-methyl-2-(4-methylcyclohex-3-en-1-yl)oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

51
Patents

152.12012 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 132.3
[M+Na]+ 175.109338 140.9
[M-H]- 151.112844 140.7
[M+NH4]+ 170.153943 149.5
[M+K]+ 191.083278 141.4
[M+H-H2O]+ 135.117380 126.8
[M+HCOO]- 197.118321 153.1
[M+CH3COO]- 211.133971 179.7
[M+Na-2H]- 173.094786 139.9
[M]+ 152.11957142 133.8
[M]- 152.12066858 133.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe